N-[2-(2-azanylpropanoyl)-3-cyclohexyl-4-[N'-(2-methylsulfonylethanoyl)carbamimidoyl]phenyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(2-azanylpropanoyl)-3-cyclohexyl-4-[N'-(2-methylsulfonylethanoyl)carbamimidoyl]phenyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(2-aminopropanoyl)-3-cyclohexyl-4-[N'-(2-methylsulfonylacetyl)carbamimidoyl]phenyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: N-[4-[amino-(2-methylsulfonyl-1-oxoethyl)iminomethyl]-2-(2-amino-1-oxopropyl)-3-cyclohexylphenyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-aminopropanoyl)-3-cyclohexyl-4-[N'-(2-methylsulfonylacetyl)carbamimidoyl]phenyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: N-[2-alanyl-3-cyclohexyl-4-[N'-(2-mesylacetyl)amidino]phenyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C25H37N5O5S MolecularWeight: 519.65678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1C2CCCCC2)C(=NC(=O)CS(=O)(=O)C)N)N(C)C(=O)C3CCCN3)N

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1C2CCCCC2)C(=NC(=O)CS(=O)(=O)C)N)N(C)C(=O)C3CCCN3)N

InChI

InChI=1S/C25H37N5O5S/c1-15(26)23(32)22-19(30(2)25(33)18-10-7-13-28-18)12-11-17(21(22)16-8-5-4-6-9-16)24(27)29-20(31)14-36(3,34)35/h11-12,15-16,18,28H,4-10,13-14,26H2,1-3H3,(H2,27,29,31)